SCHEMBL18501705

SCHEMBL18501705

CN1CCN(S(=O)(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
HTT P42858 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
LMNA P02545 2/20 0.67
GAA P10253 1/20 0.67
POLB P06746 2/20 0.64
HSD11B1 P28845 6/20 0.59
ATM Q13315 1/20 0.59
ALDH1A1 P00352 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
USP2 O75604 1/20 0.58
MAOA P21397 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12169362 0.95 LMNA (0.73) TSHRSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL18501704 0.83 POLB (0.68) SMN1; SMN2KMT2AMEN1LMNAGAA
SCHEMBL17194214 0.82 KMT2A (0.77) TSHRSMN1; SMN2KMT2AMEN1HTT
SCHEMBL13202848 0.82 SMN1; SMN2 (1.00) TSHRSMN1; SMN2KMT2AMEN1HTT
SCHEMBL4402433 0.82 LMNA (0.90) KMT2AMEN1HTTLMNAGAA
SCHEMBL12169363 0.82 LMNA (0.96) KMT2AMEN1LMNAGAAPOLB
SCHEMBL26970150 0.81 ALDH1A1 (0.70) TSHRSMN1; SMN2KMT2AMEN1HTT
SCHEMBL9906448 0.80 LMNA (1.00) KMT2AMEN1HTTLMNAGAA
SCHEMBL4555408 0.80 LMNA (1.00) KMT2AMEN1HTTLMNAGAA
SCHEMBL14349446 0.80 ATM (0.58) TSHRSMN1; SMN2KMT2AMEN1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809602-B2 Compounds for treating viral infections INSTITUT PASTEUR KOREA (KR) 2017-11-07 US disclosed
US-9809602-B2 Compounds for treating viral infections INSTITUT PASTEUR KOREA (KR) 2017-11-07 US disclosed
US-20170044181-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS INSTITUT PASTEUR KOREA (KR) 2017-02-16 US disclosed
US-20170044181-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS INSTITUT PASTEUR KOREA (KR) 2017-02-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170044181-A1 COMPOUNDS FOR TREATING VIRAL INFECTIONS HAVCR2, MAVS, EIF2AK2 TSHR 4263/4885SMN1; SMN2 4030/4885KMT2A 3994/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.